Structure

InChI Key ZBBCUBMBMZNEME-QBGWIPKPSA-L
Smile CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N2Na2O6S2
Molecular Weight 428.4
AlogP 0.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 124.01
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sepsis 1 D018805 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Mixture

Cross References

Resources Reference
ChEBI 35017
ChEMBL CHEMBL1200855
FDA SRS G8TVV6DSYG
KEGG C14021
PubChem 470375
SureChEMBL SCHEMBL41224
ZINC ZINC03831540